| |
Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology |
|
|
| You are here: Home > Ions > Energy > Calculated Ionization Energy OR Calculated > Energy > Ion > Calculated Ionization Energy | |
| Cation | Neutral | Difference | Vertical | Difference | |||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| Units | Electronic Energy | VZPE | Total | Electronic Energy | VZPE | Total | Electronic Energy | VZPE | Total | Electronic Energy | Total |
| Hartrees | -474.6589750 | -474.9734575 | 0.3144825 | 0.0000000 | 474.9734575 | ||||||
| cm-1 | 480.7 | 393.3 | 87.4 | ||||||||
| eV | -12916.128 | 0.060 | -12916.068 | -12924.685 | 0.049 | -12924.636 | 8.558 | 0.011 | 8.568 | 0.000 | 12924.685 |